SCHEMBL1120557

SCHEMBL1120557

CC(=O)OCC1OC(n2cnc3c(NC4CCCC4)nc(C#N)nc32)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.60
CTSS P25774 3/20 0.60
CTSK P43235 2/20 0.60
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58
MAPT P10636 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
CTSB P07858 2/20 0.54
PRKAB2 O43741 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA2 P54646 1/20 0.51
PRKAA1 Q13131 1/20 0.51
PRKAG3 Q9UGI9 1/20 0.51
PRKAG2 Q9UGJ0 1/20 0.51
PRKAB1 Q9Y478 1/20 0.51
ADORA3 P0DMS8 8/20 0.49
RXFP1 Q9HBX9 1/20 0.47
ADORA1 P30542 6/20 0.47
ADORA2A P29274 4/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1120554 1.00 CTSL (0.60) CTSLCTSSCTSKALDH1A1LMNA
SCHEMBL1120555 1.00 CTSL (0.60) CTSLCTSSCTSKALDH1A1LMNA
SCHEMBL1120503 0.99 CTSL (0.61) CTSLCTSSCTSKALDH1A1LMNA
SCHEMBL1120500 0.99 CTSL (0.61) CTSLCTSSCTSKALDH1A1LMNA
SCHEMBL1120498 0.99 CTSL (0.61) CTSLCTSSCTSKALDH1A1LMNA
SCHEMBL4805645 0.97 LMNA (0.59) CTSLCTSSCTSKALDH1A1LMNA
SCHEMBL4805638 0.97 LMNA (0.59) CTSLCTSSCTSKALDH1A1LMNA
SCHEMBL4805654 0.97 LMNA (0.59) CTSLCTSSCTSKALDH1A1LMNA
SCHEMBL13853940 0.93 CTSL (0.63) CTSLCTSSCTSKCTSBADORA3
SCHEMBL1120570 0.91 ADORA1 (0.55) CTSLCTSSCTSKALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943251-B8 A1 ADENOSINE RECEPTOR AGONISTS GILEAD PALO ALTO INC (US) 2011-03-23 EP disclosed
EP-1943251-B1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS INC (US) 2011-02-09 EP disclosed
US-20090137520-A1 A1 ADENOSINE RECEPTOR AGONISTS ELZEIN ELFATIH 2009-05-28 US disclosed
US-7488720-B2 A1 adenosine receptor agonists CV THERAPEUTICS, INC. (US) 2009-02-10 US disclosed
EP-1943251-A2 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2008-07-16 EP disclosed
US-7381714-B2 A1 adenosine receptor agonists CV THERAPEUTICS, INC. (US) 2008-06-03 US disclosed
EP-1883646-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2008-02-06 EP disclosed
WO-2007047401-A2 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2007-04-26 WO disclosed
US-20070087994-A1 treating tachycardia and atrial flutter, angina, and myocardial infarction; N-({9-[(4S ,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(cyclopentylamino)purin-2-yl}methyl)carbamoylmethylsulfonic acid CV THERAPEUTICS, INC. 2007-04-19 US disclosed
US-20060276428-A1 A1 adenosine receptor agonists CV THERAPEUTICS, INC. 2006-12-07 US disclosed
WO-2006125190-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2006-11-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090137520-A1 A1 ADENOSINE RECEPTOR AGONISTS ADORA1, ADORA2A, ADORA3 CTSL 4038/4885CTSS 3734/4885CTSK 3749/4885
US-20060276428-A1 A1 adenosine receptor agonists ADORA1, ADORA2A, ADORA3 CTSL 4057/4885CTSS 4237/4885CTSK 4183/4885
US-20070087994-A1 treating tachycardia and atrial flutter, angina, and myocardial infarction; N-({9-[(4S ,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(cyclopentylamino)purin-2-yl}methyl)carbamoylmethylsulfonic acid FFAR1, ADORA3, ADORA1 CTSL 3202/4885CTSS 1956/4885CTSK 3147/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.